Match comparison for Total Energy (match type 29227)
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Input 21-qedft-breit-3d.01-pxlda-hydrogen.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.404965900000000e-01 | 2.300000000000000e-07 | -4.404965900000001e-01 | 1.110223024625157e-16 | -4.404965900000000e-01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.44049659, precision: 0.00000023| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2023a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2022a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2023b-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2022a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023b-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_autotools: [intel2023a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake: [foss2022a-serial, foss-min] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake: [foss2022a-serial, foss-full] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake: [foss2022a-mpi, foss-min-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake: [foss2023a-mpi, foss-full-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake: [foss2022a-mpi, foss-full-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake: [foss2023a-mpi, foss-min-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -4.404965900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |